BDBM50106901 CHEMBL104954::N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((R)-2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
SMILES: CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=ATMHFQDWDFHUDF-TXLWKQMCSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2 | Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand | Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand | Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes | Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9 | |||||||||||
More data for this Ligand-Target Pair |